1-(5,5-dimethylhexyl)-7-(ethoxymethyl)-3-methyl-purine-2,6-dione

Systemtic Name: 1-(5,5-dimethylhexyl)-7-(ethoxymethyl)-3-methyl-purine-2,6-dione Openeye Name: 1-(5,5-dimethylhexyl)-7-(ethoxymethyl)-3-methyl-purine-2,6-dione CAS Name: 1-(5,5-dimethylhexyl)-7-(ethoxymethyl)-3-methylpurine-2,6-dione IUPAC Name: 1-(5,5-dimethylhexyl)-7-(ethoxymethyl)-3-methylpurine-2,6-dione Traditional Name: 1-(5,5-dimethylhexyl)-7-(ethoxymethyl)-3-methyl-xanthine Formula: C17H28N4O3 MolecularWeight: 336.42922

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C)C

Isomeric SMILES

CCOCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C)C

InChI

InChI=1S/C17H28N4O3/c1-6-24-12-20-11-18-14-13(20)15(22)21(16(23)19(14)5)10-8-7-9-17(2,3)4/h11H,6-10,12H2,1-5H3